2,6-ditert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine

C15H26N2 — CID 163449018

IUPAC2,6-ditert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
SMILESCC(C)(C)C1=NC2=C(CCN(C(C)(C)C)C2)C1
InChIInChI=1S/C15H26N2/c1-14(2,3)13-9-11-7-8-17(15(4,5)6)10-12(11)16-13/h7-10H2,1-6H3
InChIKeyKFDDMDZAYASZIO-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.64
Rot. Bonds

About 2,6-ditert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine

2,6-ditert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine (PubChem CID 163449018) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2,6-ditert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name2,6-ditert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
PubChem CID163449018
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2,6-ditert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
SMILESCC(C)(C)C1=NC2=C(CCN(C(C)(C)C)C2)C1
InChIInChI=1S/C15H26N2/c1-14(2,3)13-9-11-7-8-17(15(4,5)6)10-12(11)16-13/h7-10H2,1-6H3
InChIKeyKFDDMDZAYASZIO-UHFFFAOYSA-N
XLogP3.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,6-ditert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,3-Tetramethyl-4,5,6,7-tetrahydroindol-1-ium
CID 21043312
4-[2-(1,5-Dimethyl-2,3-dihydropyrrol-4-yl)ethyl]-4,5-dimethyl-2,3-dihydropyrrole
CID 59937188
2-Methyl-6-propan-2-yl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 131997933
3-(2,3,3-Trimethyl-4,5,6,7-tetrahydroindol-1-ium-1-yl)propanenitrile
CID 24869867
3,3-Diethyl-1,2-dimethyl-4,5,6,7-tetrahydroindol-1-ium
CID 24870289
5,6-Ditert-butyl-1-methyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 161549351

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The IUPAC name of 2,6-ditert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine (CID 163449018) is 2,6-ditert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for 2,6-ditert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The canonical SMILES for 2,6-ditert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine is CC(C)(C)C1=NC2=C(CCN(C(C)(C)C)C2)C1.
What is the InChIKey of 2,6-ditert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The InChIKey is KFDDMDZAYASZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-14(2,3)13-9-11-7-8-17(15(4,5)6)10-12(11)16-13/h7-10H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
2,6-ditert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine has a molecular weight of 234.39 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 163449018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).